2-fluoro-N-(1H-imidazol-2-yl)-5-methylbenzenesulfonamide

C10H10FN3O2S — CID 63562958

IUPAC2-fluoro-N-(1H-imidazol-2-yl)-5-methylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2ncc[nH]2)c1
InChIInChI=1S/C10H10FN3O2S/c1-7-2-3-8(11)9(6-7)17(15,16)14-10-12-4-5-13-10/h2-6H,1H3,(H2,12,13,14)
InChIKeyAWSILDLBSYTTGK-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.66
Rot. Bonds3

About 2-fluoro-N-(1H-imidazol-2-yl)-5-methylbenzenesulfonamide

2-fluoro-N-(1H-imidazol-2-yl)-5-methylbenzenesulfonamide (PubChem CID 63562958) has the molecular formula C10H10FN3O2S and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-fluoro-N-(1H-imidazol-2-yl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(1H-imidazol-2-yl)-5-methylbenzenesulfonamide
PubChem CID63562958
Molecular FormulaC10H10FN3O2S
Molecular Weight255.27 g/mol
Exact Mass255.05
IUPAC Name2-fluoro-N-(1H-imidazol-2-yl)-5-methylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2ncc[nH]2)c1
InChIInChI=1S/C10H10FN3O2S/c1-7-2-3-8(11)9(6-7)17(15,16)14-10-12-4-5-13-10/h2-6H,1H3,(H2,12,13,14)
InChIKeyAWSILDLBSYTTGK-UHFFFAOYSA-N
XLogP1.66
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 63564852
2-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 63563905
2-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 62945149
5-amino-3-fluoro-N-(1H-imidazol-2-yl)-2-methylbenzenesulfonamide
CID 79895976
N-(2-fluoro-5-methylphenyl)-1H-imidazol-2-amine
CID 106561042
5-amino-2-fluoro-N-(1H-imidazol-2-yl)-3-methylbenzenesulfonamide
CID 80645994
2-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide
CID 63564848
2-amino-5-bromo-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 106491773
N-(1H-imidazol-2-yl)-2-(methylamino)benzenesulfonamide
CID 55214521
N-(1H-imidazol-2-yl)-4-iodobenzenesulfonamide
CID 63564855
3-amino-N-(1H-imidazol-2-yl)-4-methylbenzenesulfonamide
CID 63562930
5-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-yl)-2-methylbenzenesulfonamide
CID 63564512

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1H-imidazol-2-yl)-5-methylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-(1H-imidazol-2-yl)-5-methylbenzenesulfonamide (CID 63562958) is 2-fluoro-N-(1H-imidazol-2-yl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(1H-imidazol-2-yl)-5-methylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(1H-imidazol-2-yl)-5-methylbenzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)Nc2ncc[nH]2)c1.
What is the InChIKey of 2-fluoro-N-(1H-imidazol-2-yl)-5-methylbenzenesulfonamide?
The InChIKey is AWSILDLBSYTTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2S/c1-7-2-3-8(11)9(6-7)17(15,16)14-10-12-4-5-13-10/h2-6H,1H3,(H2,12,13,14).
What are the key properties of 2-fluoro-N-(1H-imidazol-2-yl)-5-methylbenzenesulfonamide?
2-fluoro-N-(1H-imidazol-2-yl)-5-methylbenzenesulfonamide has a molecular weight of 255.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1H-imidazol-2-yl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 63562958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).